Modulated Structure of the Thermoelectric Compound [Ca<sub>2</sub>CoO<sub>3</sub>]<sub>0.62</sub>CoO<sub>2</sub>

DOI Web Site Web Site BIBCODE 被引用文献36件 参考文献21件
  • Miyazaki Yuzuru
    Department of Applied Physics, Graduate School of Engineering, Tohoku University, Aramaki Aoba, Aoba-ku, Sendai 980-8579
  • Onoda Mitsuko
    Advanced Materials Laboratory, National Institute for Materials Science, Namiki 1-1, Tsukuba, Ibaraki 305-0044
  • Oku Takeo
    Institute of Scientific and Industrial Research, Osaka University, Mihogaoka 8-1, Ibaraki, Osaka 567-0047
  • Kikuchi Masae
    Institute for Materials Research, Tohoku University, Katahira 2-1-1, Aoba-ku, Sendai 980-8577
  • Ishii Yoshinobu
    Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195
  • Ono Yasuhiro
    Department of Applied Physics, Graduate School of Engineering, Tohoku University, Aramaki Aoba, Aoba-ku, Sendai 980-8579
  • Morii Yukio
    Advanced Science Research Center, Japan Atomic Energy Research Institute, Tokai, Ibaraki 319-1195
  • Kajitani Tsuyoshi
    Department of Applied Physics, Graduate School of Engineering, Tohoku University, Aramaki Aoba, Aoba-ku, Sendai 980-8579

書誌事項

タイトル別名
  • Modulated Structure of the Thermoelectric Compound [Ca2CoO3]0.62CoO2.
公開日
2002
DOI
  • 10.1143/jpsj.71.491
公開者
一般社団法人 日本物理学会

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説明

We have determined the crystal structure of the composite crystal [Ca2CoO3]0.62CoO2, known as Ca3Co4O9, by a superspace group approach. Structural parameters were refined with a superspace group of Cm (0 1-p 0) using powder X-ray and neutron diffraction data. The compound consists of two interpenetrating subsystems of a CoO2 sheet and a distorted triple-layered NaCl-type Ca2CoO3 block, being incommensurate parallel to the b-axis. The CoO2 sheet is composed of a CdI2-type triangular Co lattice with sharing an edge of the CoO6 octahedra. In the Ca2CoO3 subsystem, “<”-shaped buckled arrangement of the atoms is found, due to the ordered arrangement of the Ca and Co atoms parallel to the c-axis. Both the subsystems have common a-, c-axes and β-angle with a=4.8339(3) Å, c=10.8436(7) Å and β=98.14(1)º. The b-axis lengths are refined to be b1=2.8238(2) Å for the [CoO2] subsystem and b2=4.5582(2) Å for the [Ca2CoO3] subsystem. An undulating arrangement of the O atom sites in the CoO2 sheets is revealed but the modulation of the Co atom site is less marked. Remarkable displacive modulation of the Co and O sites in the [Ca2CoO3] subsystem has also been observed, suggesting that a regular NaCl-type coordination is very severe for the Co-O bonds in the present compound.

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